methyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxidanylidene-5-propyl-pyrazol-1-yl]ethanoate

Systemtic Name: methyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxidanylidene-5-propyl-pyrazol-1-yl]ethanoate Openeye Name: methyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-5-propyl-pyrazol-1-yl]acetate CAS Name: 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-5-propyl-1-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-5-propylpyrazol-1-yl]acetate Traditional Name: 2-[3-keto-2-methyl-4-(4-nitrobenzyl)-5-propyl-3-pyrazolin-1-yl]acetic acid methyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CC(=O)OC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=O)N(N1CC(=O)OC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-4-5-15-14(10-12-6-8-13(9-7-12)20(23)24)17(22)18(2)19(15)11-16(21)25-3/h6-9H,4-5,10-11H2,1-3H3